Compound Detail
CHEMBL2381848
PF-06291874 🧪 Phase II
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🧪 Phase II
CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL2381848 |
| Name | PF-06291874 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IBDYYOQKQCCSDP-QFIPXVFZSA-N |
4
Targets
5
Activities
2
Assay Types
12
PK Parameters
20
Publications
1
Known Names
1
Indications
1
Mechanisms
Molecular Properties
503.5
MW (Da)
5.63
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.37
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucagon receptor antagonist | ANTAGONIST | Glucagon receptor | ✓ | ✓ |
Indications
Diabetes Mellitus, Type 2
Activity Summary
Ki 4 meas. best 7.85
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | Ki | 5.5 | 5.5 | 3160.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.09 | 5.09 | 8200.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.07 | 5.07 | 8582.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 2.8 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| F | 100.0 | % | Rattus norvegicus |
| Fu | 0.00714 | - | Rattus norvegicus |
| Fu | 0.0593 | - | Rattus norvegicus |
| Fu | 0.00392 | - | Rattus norvegicus |
| Fu | 0.00722 | - | Rattus norvegicus |
| Fu | 0.00845 | - | Rattus norvegicus |
| Fu | 0.00926 | - | Rattus norvegicus |
| T1/2 | 2.5 | hr | Canis lupus familiaris |
| T1/2 | 1.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | Ki | = | 14.0 | nM | 7.85 | Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based a... | 23562063 |
| Glucagon-like peptide 1 receptor | Ki | = | 3160.0 | nM | 5.5 | Binding affinity to GLP-1 receptor (unknown origin) | 23562063 |
| Unchecked | Ki | = | 8200.0 | nM | 5.09 | Inhibition of rat GABA-gated chloride channel | 23562063 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 8582.23 | nM | 5.07 | PDSP Secondary Binding target: CHRM5 - Compounds are tested at 10 uM concentrati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 24 |
| - | 10.6019/CHEMBL5724696 | U2OS | 24 |
| 31732255 | 10.1016/j.ejmech.2019.111813 | ADMET | 18 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| 23562063 | 10.1016/j.bmcl.2013.03.014 | Rattus norvegicus | 8 |
| - | 10.6019/CHEMBL4689842 | U2OS | 7 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| 23562063 | 10.1016/j.bmcl.2013.03.014 | Canis familiaris | 5 |
Data from ChEMBL 36 via Core Engine